Information card for entry 4116313

Structure parameters

• Common name: 40167
• Formula: C46 H56 Cl3 Fe2 N8 O15
• Calculated formula: C46 H56 Cl3 Fe2 N8 O15
• Title of publication: Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions
• Authors of publication: Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 2226 - 2235
• a: 21.55 ± 0.004 Å
• b: 18.984 ± 0.004 Å
• c: 12.421 ± 0.003 Å
• α: 90°
• β: 93.55 ± 0.03°
• γ: 90°
• Cell volume: 5071.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1565
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections: 0.2013
• Weighted residual factors for significantly intense reflections: 0.1568
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No